1809-0003 Screening compound: 9-[2-(benzyloxy)-3,5-diiodophenyl]-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

1809-0003 Screening compound: 9-[2-(benzyloxy)-3,5-diiodophenyl]-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
1809-0003 Screening compound: 9-[2-(benzyloxy)-3,5-diiodophenyl]-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1809-0003
9-[2-(benzyloxy)-3,5-diiodophenyl]-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1809-0003

Molecular Formula

C30H30I2O4 (C30 H30 I2 O4)

Compound Name

9-[2-(benzyloxy)-3,5-diiodophenyl]-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

IUPAC name

9-[2-(benzyloxy)-35-diiodophenyl]-3366-tetramethyl-23456789-octahydro-1H-xanthene-18-dione

SMILES

CC(C)(C1)CC(OC(CC(C)(C)C2)=C(C3c4cc(I)cc(I)c4OCc4ccccc4)C2=O)=C3C1=O

InChI

InChI=1S/C30H30I2O4/c1-29(2)12-21(33)26-23(14-29)36-24-15-30(3,4)13-22(34)27(24)25(26)19-10-18(31)11-20(32)28(19)35-16-17-8-6-5-7-9-17/h5-11,25H,12-16H2,1-4H3

InChI Key

XKTMUXQLENSFKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01029563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

708.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.804

Distribution Coefficient, logD

7.804

Water Solubility, LogSw

-5.77

Polar Surface Area

40.798

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 1809-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1809-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1809-0003
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1809-0003 available by request